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SCHEMBL4598609

SCHEMBL4598609

COCCCN1C(=O)COc2ccc(CO[C@H]3C(C)N(C(=O)OCc4ccccc4)C[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3c3ccc(COC[C@@H](C)COC)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ REN P00797 3/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TP53 P04637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4598605 1.00 TSHR (0.33) TSHRRENUTS2RCYP3A4MAPT
SCHEMBL4538962 0.84 MAPT (0.40) TSHRRENCYP3A4MAPTTP53
SCHEMBL3877631 0.83 REN (0.34) TSHRRENUTS2RCYP3A4MAPT
SCHEMBL4436996 0.83 REN (0.34) TSHRRENUTS2RCYP3A4MAPT
SCHEMBL1012874 0.81 UTS2R (0.36) TSHRRENUTS2RCYP3A4MAPT
SCHEMBL1012876 0.81 UTS2R (0.36) TSHRRENUTS2RCYP3A4MAPT
SCHEMBL1034990 0.74 MAPT (0.40) TSHRRENUTS2RCYP3A4MAPT
SCHEMBL1040699 0.73 MAPT (0.39) TSHRRENCYP3A4MAPTTP53
SCHEMBL3274719 0.73 REN (0.36) TSHRRENCYP3A4MAPTTP53
SCHEMBL4581441 0.72 REN (0.37) TSHRRENUTS2RCYP3A4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed